Materials Data on K2PdN2(ClO2)2 by Materials Project

doi:10.17188/1281304

Title: Materials Data on K2PdN2(ClO2)2 by Materials Project

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Abstract

K2PdN2(O2Cl)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.81–3.24 Å. There are a spread of K–Cl bond distances ranging from 3.17–3.67 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.86–3.34 Å. There are a spread of K–Cl bond distances ranging from 3.17–3.68 Å. Pd2+ is bonded in a distorted linear geometry to two Cl1- atoms. Both Pd–Cl bond lengths are 2.34 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are four inequivalent O2- sites. Inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-655297

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; K2PdN2(ClO2)2; Cl-K-N-O-Pd

OSTI Identifier:: 1281304

DOI:: https://doi.org/10.17188/1281304

Citation Formats


                    The Materials Project. Materials Data on K2PdN2(ClO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281304.

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                    The Materials Project. Materials Data on K2PdN2(ClO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281304

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                    The Materials Project. 2020.  
"Materials Data on K2PdN2(ClO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281304.  https://www.osti.gov/servlets/purl/1281304. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1281304,

  title        = {Materials Data on K2PdN2(ClO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2PdN2(O2Cl)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.81–3.24 Å. There are a spread of K–Cl bond distances ranging from 3.17–3.67 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.86–3.34 Å. There are a spread of K–Cl bond distances ranging from 3.17–3.68 Å. Pd2+ is bonded in a distorted linear geometry to two Cl1- atoms. Both Pd–Cl bond lengths are 2.34 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one N3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Pd2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Pd2+ atom.},

  doi          = {10.17188/1281304},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281304

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